4B3J

Crystal structure of Mycobacterium tuberculosis fatty acid beta- oxidation complex with CoenzymeA bound at the hydratase and thiolase active sites

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	FATTY ACID BETA-OXIDATION COMPLEX ALPHA-CHAIN FADB	polymer	736	78005.8	2	UniProt (O53872) Pfam (PF00378) Pfam (PF02737) Pfam (PF00725)	MYCOBACTERIUM TUBERCULOSIS	ENOYLCOA HYDRATASE, HYDROXYACYLCOA DEHYDROGENASE, PROBABLE FATTY OXIDATION PROTEIN FADB
2	C, D (C, D)	FATTY ACID BETA-OXIDATION COMPLEX BETA-CHAIN FADA	polymer	403	42460.4	2	UniProt (O53871) Pfam (PF00108) Pfam (PF02803)	MYCOBACTERIUM TUBERCULOSIS	THIOLASE, PUTATIVE ACYLTRANSFERASE RV0859
3	AA, BA, CA, DA, E... (C, A, D, B)	SULFATE ION	non-polymer		96.1	26	Chemie (SO4)
4	GA, K, L, M, N... (C, A, D, B)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
5	HA, O, OA, Y (C, A, D, B)	COENZYME A	non-polymer		767.5	4	Chemie (COA)
6	IA, PA (C, D)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
7	RA, SA, TA, UA (A, B, C, D)	water	water		18.0	837	Chemie (HOH)

Sequence modifications

A, B: 1 - 720 (UniProt: O53872)

PDB	External Database	Details
Met -15	-	expression tag
Gly -14	-	expression tag
Ser -13	-	expression tag
Ser -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Ser -5	-	expression tag
Gln -4	-	expression tag
Asp -3	-	expression tag
Pro -2	-	expression tag
Asn -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	240932.3
Non-Polymers*	Number of molecules	39
	Total formula weight	7066.8
All*	Total formula weight	247999.2

*Water molecules are not included.